Denis Jacquemin
Jacquemin, Denis
VIAF ID: 313558583 (Personal)
Permalink: http://viaf.org/viaf/313558583
Preferred Forms
- 100 0 _ ‡a Denis Jacquemin
- 100 1 _ ‡a Jacquemin, Denis
- 100 1 _ ‡a Jacquemin, Denis
4xx's: Alternate Name Forms (2)
5xx's: Related Names (2)
Works
Title | Sources |
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Control of benzopyran photochemistry : theoretical strategy coupling quantum chemistry and quantum dynamics. | |
Contrôle de la photochimie du benzopyrane : élaboration d’une stratégie théorique couplant chimie quantique et dynamique quantique | |
Effects of chemical substitutions on the properties of azacalixphyrins: a first-principles study | |
Effiziente lichtinduzierte pK a -Modulation, gekoppelt mit basenkatalysierter Photochromie | |
Electric-field induced mutation of DNA: a theoretical investigation of the GC base pair | |
Electron nuclear dynamics of proton collisions with methane at 30 eV | |
Electronic transitions of neutral and anionic quinolinone HIV-1 integrase inhibitor: Joint theory/experiment investigation | |
Enhancement of the second-order NLO responses of boron–nitrogen oligomers by copolymerization with polyyne | |
Ethynylene-analogues of hemicurcuminoids: Synthesis and ground- and excited properties of their boron difluoride complexes | |
Etude computationnelle de systèmes photochromiques innovants | |
Évaluation ab initio de la couleur de diaryléthènes présentant un pont maléimide | |
Exceptional Stability of Azacalixphyrin and Its Dianion | |
Excitation spectra of nitro-diphenylaniline: Accurate time-dependent density functional theory predictions for charge-transfer dyes | |
Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments | |
Excited-State Geometries of Heteroaromatic Compounds: A Comparative TD-DFT and SAC-CI Study | |
Excited-state nature in benzodifuranone dyes: Insights from ab initio simulations | |
Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes | |
Excited-states of BODIPY–cyanines: ultimate TD-DFT challenges? | |
Excited States of Ladder-Type π-Conjugated Dyes with a Joint SOS-CIS | |
Expanding the Polymethine Paradigm: Evidence for the Contribution of a Bis-Dipolar Electronic Structure | |
Exploratory Pariser-Parr-Pople investigation of the static first hyperpolarizability of polymethineimine chains | |
Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems. | |
An extended excited-state intramolecular proton transfer (ESIPT) emitter for random lasing applications | |
Fast and Reliable Theoretical Determination of pKa* for Photoacids | |
Fluorescein isothiocyanate: Molecular characterization by theoretical calculations | |
Fluorescence in Rhoda- and Iridacyclopentadienes Neglecting the Spin–Orbit Coupling of the Heavy Atom: The Ligand Dominates | |
Formazanate boron difluoride dyes: discrepancies between TD-DFT and wavefunction descriptions | |
Front Cover: Analyzing the Relation between Structure and Aggregation Induced Emission (AIE) Properties of Iridium(III) Complexes through Modification of Non-Chromophoric Ancillary Ligands (Eur. J. Inorg. Chem. 2/2018) | |
Full cLR-PCM calculations of the solvatochromic effects on emission energies | |
Full ring closing in a diarylethene hexamer: insights from theory | |
Fused bis-azacalixphyrin that reaches NIR-II absorptions | |
General Approach To Compute Phosphorescent OLED Efficiency | |
A generalized Romberg differentiation procedure for calculation of hyperpolarizabilities | |
Géométries, structures électroniques et propriétés physico-chimiques d’espèces de l’astate : une application de la mécanique quantique relativiste. | |
Geometry, dipole moment, polarizability and first hyperpolarizability of polymethineimine: An assessment of electron correlation contributions | |
Going beyond the vertical approximation with time-dependent density functional theory | |
Grafting Spiropyran Molecular Switches on TiO2: A First-Principles Study | |
Ground Electronic State of Peptide Cation Radicals: A Delocalized Unpaired Electron? | |
H-atom loss and migration in hydrogen-rich peptide cation radicals: The role of chemical environment | |
Heck-Matsuda Arylation of Olefins Through a Bicatalytic Approach: Improved Procedures and Rationalization | |
Highly fluorescent extended 2-(2′-hydroxyphenyl)benzazole dyes: synthesis, optical properties and first-principle calculations | |
Hochkooperatives Photoschalten in Dihydropyren‐Dimeren | |
Homochiral Emissive Λ8 - and Δ8 -[Ir8 Pd4 ]16+ Supramolecular Cages | |
How Adsorption Onto TiO2 Modifies the Properties of Multiswitchable DTE Systems: Theoretical Insights | |
How DNA is damaged by external electric fields: selective mutation vs. random degradation | |
How To Make Nitroaromatic Compounds Glow: Next‐Generation Large X‐Shaped, Centrosymmetric Diketopyrrolopyrroles | |
Hybrid dithienylethene-naphthopyran multi-addressable photochromes: an ab initio analysis | |
Impact of DFT functionals on the predicted magnesium–DNA interaction: an ONIOM study | |
Impact of DNA environment on the intrastrand cross-link lesions: hydrogen atom release as the last step of formation of G[8-5m]T. | |
Impact of tautomers on the absorption spectra of neutral and anionic alizarin and quinizarin dyes | |
An investigation on the second-order nonlinear optical response of cationic bipyridine or phenanthroline iridium | |
A Joint Theoretical and Experimental Study of the Behavior of the DIDS Inhibitor and its Derivatives. | |
A luminescent [Pd4Ru8]24+ supramolecular cage | |
Mechanistic Insights into the Photoisomerization of N,N′-Disubstituted Indigos | |
Modélisation de cellules photovoltaïques à colorants | |
Modélisation de macrocycles de la famille des azacalixphyrines. | |
Modélisation des interactions entre photochromes et surfaces. | |
Modélisation des propriétés spectroscopiques de matériaux ténébrescents. | |
Modélisation du Rendement Quantique de Fluorescence pour les Chromophores Organiques. | |
Modélisation et simulation de nouveaux inhibiteurs de Rad51 au sein d'une protéine de transport | |
Modélisation quantique de transferts de protons à l'état excité. | |
Modelling and simulation of new Rad51 inhibitors within a carrier protein. | |
Modelling od dye-sensitized solar cells. | |
Modelling of excited state proton transfer in in fluorescent dyes | |
Photobiochimie et biologie cellulaire des ommochromes : implications dans le changement de couleur | |
A physico-chemical investigation of fluorine-enriched quinolines | |
A qualitative failure of B3LYP for textbook organic reactions | |
A quantitative prediction of the electronic spectra of thiocarbonyl chromophores: TD-DFT versus SAC-CI | |
Rationalization and design of innovative photochromic compounds. | |
Study of the ultrafast electronic dynamics following ionization of Caffeine molecule with the TD-DFTB method. | |
A TD-DFT investigation of the visible spectra of fluoro-anthraquinones | |
TD-DFT simulation of the properties of the excited states | |
Tenebrescent minerals by in silico modelling | |
A theoretical investigation of the hydrated glycine cation energetics and structures | |
Theoretical investigation of unconventional ESIPT fluorophores | |
Theoretical Study of Dehydrogenation Effects upon the First Hyperpolarizability of Polyphosphinoborane | |
A theoretical study of the perfluoro-diarylethenes electronic spectra | |
An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand |